N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide

C20H22N4O4 — CID 122690240

IUPACN-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O4/c25-20(23-26)15-3-6-17-18(13-15)22-19(21-17)14-1-4-16(5-2-14)28-12-9-24-7-10-27-11-8-24/h1-6,13,26H,7-12H2,(H,21,22)(H,23,25)
InChIKeyCQBOJWAVNFCIJR-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.06
Rot. Bonds6

About N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide

N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 122690240) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID122690240
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O4/c25-20(23-26)15-3-6-17-18(13-15)22-19(21-17)14-1-4-16(5-2-14)28-12-9-24-7-10-27-11-8-24/h1-6,13,26H,7-12H2,(H,21,22)(H,23,25)
InChIKeyCQBOJWAVNFCIJR-UHFFFAOYSA-N
XLogP2.06
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2-[4-[6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649285
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
CID 153469808
N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
CID 11669849
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100801

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 122690240) is N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1.
What is the InChIKey of N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CQBOJWAVNFCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-20(23-26)15-3-6-17-18(13-15)22-19(21-17)14-1-4-16(5-2-14)28-12-9-24-7-10-27-11-8-24/h1-6,13,26H,7-12H2,(H,21,22)(H,23,25).
What are the key properties of N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).